| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2009 | 26 | No |
Popular Name: 1-phenyl-3-[(2S)-2-(4-pyridyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1,2,4-triazin-6-one 1-phenyl-3-[(2S)-2-(4-pyridyl)py…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.95 | 7.61 | -13.26 | 1 | 7 | 0 | 78 | 349.394 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.95 | 8.05 | -42.3 | 2 | 7 | 1 | 79 | 350.402 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-phenyl-3-[2-(4-pyridyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1,2,4-triazin-6-one](http://zinc12.docking.org/img/rings/12578.gif)